(4aS,8R,8aR)-8a-bromanyl-7-ethenyl-3-methyl-8-(3-methyl-2-oxidanyl-phenyl)-5,8-dihydro-4aH-naphthalene-1,4-dione

Systemtic Name: (4aS,8R,8aR)-8a-bromanyl-7-ethenyl-3-methyl-8-(3-methyl-2-oxidanyl-phenyl)-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aS,8R,8aR)-8a-bromo-8-(2-hydroxy-3-methyl-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-dione CAS Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(2-hydroxy-3-methylphenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(2-hydroxy-3-methylphenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aS,8R,8aR)-8a-bromo-8-(2-hydroxy-3-methyl-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C20H19BrO3 MolecularWeight: 387.26706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C2C(=CCC3C2(C(=O)C=C(C3=O)C)Br)C=C

Isomeric SMILES

CC1=CC=CC(=C1O)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)C=C(C3=O)C)Br)C=C

InChI

InChI=1S/C20H19BrO3/c1-4-13-8-9-15-19(24)12(3)10-16(22)20(15,21)17(13)14-7-5-6-11(2)18(14)23/h4-8,10,15,17,23H,1,9H2,2-3H3/t15-,17+,20+/m0/s1